3-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl-methylamino]propane-1,2-diol

C15H20FN3O2 — CID 56713592

IUPAC3-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl-methylamino]propane-1,2-diol
SMILESCN(Cc1cn(C)nc1-c1ccccc1F)CC(O)CO
InChIInChI=1S/C15H20FN3O2/c1-18(9-12(21)10-20)7-11-8-19(2)17-15(11)13-5-3-4-6-14(13)16/h3-6,8,12,20-21H,7,9-10H2,1-2H3
InChIKeyQHMYUGDHSGSREC-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.01
Rot. Bonds6

About 3-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl-methylamino]propane-1,2-diol

3-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl-methylamino]propane-1,2-diol (PubChem CID 56713592) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl-methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl-methylamino]propane-1,2-diol
PubChem CID56713592
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name3-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl-methylamino]propane-1,2-diol
SMILESCN(Cc1cn(C)nc1-c1ccccc1F)CC(O)CO
InChIInChI=1S/C15H20FN3O2/c1-18(9-12(21)10-20)7-11-8-19(2)17-15(11)13-5-3-4-6-14(13)16/h3-6,8,12,20-21H,7,9-10H2,1-2H3
InChIKeyQHMYUGDHSGSREC-UHFFFAOYSA-N
XLogP1.01
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl-methylamino]propane-1,2-diol?
The IUPAC name of 3-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl-methylamino]propane-1,2-diol (CID 56713592) is 3-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl-methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl-methylamino]propane-1,2-diol?
The canonical SMILES for 3-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl-methylamino]propane-1,2-diol is CN(Cc1cn(C)nc1-c1ccccc1F)CC(O)CO.
What is the InChIKey of 3-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl-methylamino]propane-1,2-diol?
The InChIKey is QHMYUGDHSGSREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-18(9-12(21)10-20)7-11-8-19(2)17-15(11)13-5-3-4-6-14(13)16/h3-6,8,12,20-21H,7,9-10H2,1-2H3.
What are the key properties of 3-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl-methylamino]propane-1,2-diol?
3-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl-methylamino]propane-1,2-diol has a molecular weight of 293.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl-methylamino]propane-1,2-diol is sourced from PubChem (CID 56713592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).